4-(4-butoxy-3-methoxybenzoyl)-1-(2,3-dimethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(4-butoxy-3-methoxybenzoyl)-1-(2,3-dimethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(4-butoxy-3-methoxybenzoyl)-1-(2,3-dimethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1406 |
| Compound Name: | 4-(4-butoxy-3-methoxybenzoyl)-1-(2,3-dimethylphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C27 H31 N3 O4 |
| Smiles: | CCCCOc1ccc(cc1OC)C(C1CC(Nc2c1c(C)nn2c1cccc(C)c1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9075 |
| logD: | 4.9027 |
| logSw: | -4.6464 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.664 |
| InChI Key: | PKMGHRHJWHXLSW-FQEVSTJZSA-N |